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Compound Detail

CHEMBL3403497

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CC(C)(C)C(=O)OCOP(=O)(OCOC(=O)C(C)(C)C)C1CCN(O)C(=O)C1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3403497
Phase Preclinical
Structure Type MOL
InChI Key XXFLUJLOBLWGIF-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

423.4
MW (Da)
2.69
ALogP
9
HBA
1
HBD
128.7
PSA (Ų)
0.28
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H30NO9P
MW 423.40
Aromatic Rings 0
Heavy Atoms 28
NP-Likeness 0.41

Activity Summary

IC50 1 meas. best 7.56

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Plasmodium falciparum
CHEMBL364
 IC50 7.56 7.56 27.4 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Plasmodium falciparum IC50 = 27.4 nM 7.56 Antimalarial activity against chloroquine and mefloquine-resistant Plasmodium fa... 25881827

Literature References

PubMed DOI Target Context # Activities
25881827 10.1016/j.bmcl.2015.03.077 Plasmodium falciparum 1
25881827 10.1016/j.bmcl.2015.03.077 ADMET 1

Data from ChEMBL 36 via Core Engine